기본 정보
- CAS
696-68-4- 표준 SMILES
CN(C)C=C1C=CC=C1- InChIKey
UJXXVGXQTXQALL-UHFFFAOYSA-N- 분자식
- C8H11N
- 평균 분자량
- 121.18 g/mol
- 단동위원소 질량
- 121.08914935
이름 및 식별자
- 우선 이름
- 6-(Dimethylamino)fulvene
- IUPAC
- 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylmethanamine
- 현지명
- 5-(디메틸아미노메틸렌)-1,3-시클로펜타디엔
- 영어명
- 5-(DIMETHYLAMINOMETHYLENE)-1,3-CYCLOPENTADIENE
- 분자식
- C8H11N
- 분자량
- 121.18
이름 및 동의어
6-(Dimethylamino)fulvene696-68-4Methanamine, 1-(2,4-cyclopentadien-1-ylidene)-N,N-dimethyl-N8V3WI850KNSC 55886NSC-55886UNII-N8V3WI850KDTXSID202198742,4-Cyclopentadiene-.DELTA.1,.alpha.-methylamine, N,N-dimethyl-6-(DIMETHYLAMINO)PENTAFULVENE1-(2,4-Cyclopentadien-1-ylidene)-N,N-dimethylmethanamineRefChem:104086
이름 더 보기
5-(디메틸아미노메틸렌)-1,3-시클로펜타디엔5-(DAIDS051095SPECS AO-840/407680316-(Dimethylamino)fulvene>15N3]-L-Histidine HCl H2O (<6-(N,N-Dimethylamino)pentafulvene[2-13C]-L-Histidine HCl H2O (<5-(DIMETHYLAMINOMETHYLENE)-1,3-CYCLOPENTADIENEDimethyl(2,4-cyclopentadienylidenemethyl)amine
DTXCID701423652,4-Cyclopentadiene-delta1,alpha-methylamine, N,N-dimethyl-621-012-8UJXXVGXQTXQALL-UHFFFAOYSA-N1-(Cyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylmethanamine5-(Dimethylaminomethylene)-1,3-cyclopentadieneNSC55886
데이터베이스 식별자
- CAS
696-68-4- PubChem CID
- 136523
- DTXSID
DTXSID20219874- UNII
- N8V3WI850K
- EC Number
- 621-012-8
- Nikkaji
- J150.486J
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 159
물리화학적 성질
- 녹는점
- 64 · 64-66 °C (lit.)
- 끓는 점
- 205.3 · 205.3±9.0 °C(Predicted)
- 밀도
- 1.042 · 1.042±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 6.25 · 6.25±0.20(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- Light yellow to Brown to Dark green
- InChI
- 1S/C8H11N/c1-9(2)7-8-5-3-4-6-8/h3-7H,1-2H3
- InChIKey
- UJXXVGXQTXQALL-UHFFFAOYSA-N
- SMILES
- CN(C)\C=C1/C=CC=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2921199990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도6-(Dimethylamino)fulvene was used in the synthesis of chiral cyclopentadienyllithiums substituted with an N,N-dimethylamino(aryl)methyl group.
제조 방법
6-(Dimethylamino)fulvene may be conveniently prepared by the reaction of cyclopentadienylsodium with N,N-Dimethylformamide-Dimethyl Sulfate. Alternatively, cyclopentadiene has been condensed with N,N-Dimethylformamide Diethyl Acetal.
공급사34 곳
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